667994
3-Methyl-2-furoic acid
97%
Synonym(s):
3-Methylfuran-2-carboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C6H6O3
CAS Number:
Molecular Weight:
126.11
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
97%
form
solid
mp
134-138 °C
SMILES string
Cc1ccoc1C(O)=O
InChI
1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChI key
BNYIQEFWGSXIKQ-UHFFFAOYSA-N
Related Categories
Application
Used in a palladium-catalyzed cross-coupling between heteroaryl carboxylic acids and aryl bromides leading to arylated heterocycles. Also used in a palladium-catalyzed asymmetric hydrogenation.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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J. Catal., 226, 52-52 (2003)
Pat Forgione et al.
Journal of the American Chemical Society, 128(35), 11350-11351 (2006-08-31)
Aryl-substituted five-membered heteroaromatics have attracted great interest over the past years due to their presence in a large number of pharmaceuticals and natural products. Recently, an advance in the preparation of these scaffolds was achieved by employing a C-H functionalization
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